4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine

C11H15NS2 — CID 155441163

IUPAC4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine
SMILESCCC1=CCSC(C2SC=CC2C)=N1
InChIInChI=1S/C11H15NS2/c1-3-9-5-7-14-11(12-9)10-8(2)4-6-13-10/h4-6,8,10H,3,7H2,1-2H3
InChIKeyDOAXQKJWKRJVIS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.69
Rot. Bonds2

About 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine

4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine (PubChem CID 155441163) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine.

Molecular Properties

Compound Name4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine
PubChem CID155441163
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Name4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine
SMILESCCC1=CCSC(C2SC=CC2C)=N1
InChIInChI=1S/C11H15NS2/c1-3-9-5-7-14-11(12-9)10-8(2)4-6-13-10/h4-6,8,10H,3,7H2,1-2H3
InChIKeyDOAXQKJWKRJVIS-UHFFFAOYSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine?
The IUPAC name of 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine (CID 155441163) is 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine.
What is the SMILES notation for 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine?
The canonical SMILES for 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine is CCC1=CCSC(C2SC=CC2C)=N1.
What is the InChIKey of 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine?
The InChIKey is DOAXQKJWKRJVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/c1-3-9-5-7-14-11(12-9)10-8(2)4-6-13-10/h4-6,8,10H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine?
4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine has a molecular weight of 225.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine is sourced from PubChem (CID 155441163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).